SCHEMBL770558

SCHEMBL770558

O=S(=O)(O)c1ccccc1Cc1ccc(F)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP13 P45452 2/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP12 P39900 1/20 0.35
MMP14 P50281 1/20 0.35
EPHX2 P34913 1/20 0.34
MYC P01106 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNA5 P22460 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
HDAC1 Q13547 2/20 0.32
KLKB1 P03952 1/20 0.32
KLK1 P06870 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL770390 0.82 NFE2L2 (0.43) KCNH2
SCHEMBL770296 0.82 PARP1 (0.36) CYP11B1CYP11B2MMP2MMP9MMP13
SCHEMBL769777 0.76 NAPRT (0.46) CYP11B1CYP11B2
SCHEMBL29740732 0.76 BCL2 (0.50) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7738158 0.76 BCL2 (0.50) MMP2MMP9MMP13MMP1MMP3
SCHEMBL770557 0.75 HTR2A (0.42) CYP11B1CYP11B2MMP2MMP9MMP13
SCHEMBL31425767 0.75 MYC (0.47) MMP2MMP9MMP13MMP1MMP3
SCHEMBL31425768 0.75 MYC (0.47) MMP2MMP9MMP13MMP1MMP3
SCHEMBL14991455 0.75 MYC (0.47) MMP2MMP9MMP13MMP1MMP3
SCHEMBL16556192 0.73 CYP19A1 (0.41) CYP11B1CYP11B2MYCCYP2D6CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926274-B2 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2018-03-27 US disclosed
EP-2650282-B1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO (JP) 2017-06-07 EP disclosed
EP-2650283-B1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO (JP) 2017-06-07 EP disclosed
US-20150141653-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO (JP) 2015-05-21 US disclosed
US-9000156-B2 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2015-04-07 US disclosed
US-20140323724-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO (JP) 2014-10-30 US disclosed
EP-2141149-B1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO (JP) 2014-10-29 EP disclosed
EP-2650282-A1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2013-10-16 EP disclosed
EP-2650283-A1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2013-10-16 EP disclosed
US-20120071656-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO., LTD. (JP) 2012-03-22 US disclosed
US-20100121054-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO., LTD. (JP) 2010-05-13 US disclosed
EP-2141149-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE Nippon Soda Co., Ltd. (JP) 2010-01-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071656-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT CYP11B1 2437/4885CYP11B2 2079/4885MMP2 663/4885
US-20140323724-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT CYP11B1 2437/4885CYP11B2 2079/4885MMP2 663/4885
US-20150141653-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT CYP11B1 2437/4885CYP11B2 2079/4885MMP2 663/4885
US-20100121054-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT CYP11B1 1569/4885CYP11B2 1298/4885MMP2 787/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.